1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol

C18H24N2O3S — CID 110017059

IUPAC1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol
SMILESCN(CCc1ccncc1)CC(C)(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(21,16-4-6-17(7-5-16)24(3,22)23)14-20(2)13-10-15-8-11-19-12-9-15/h4-9,11-12,21H,10,13-14H2,1-3H3
InChIKeySCDIVQVNXYJRJC-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.87
Rot. Bonds7

About 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol

1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol (PubChem CID 110017059) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol
PubChem CID110017059
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol
SMILESCN(CCc1ccncc1)CC(C)(O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(21,16-4-6-17(7-5-16)24(3,22)23)14-20(2)13-10-15-8-11-19-12-9-15/h4-9,11-12,21H,10,13-14H2,1-3H3
InChIKeySCDIVQVNXYJRJC-UHFFFAOYSA-N
XLogP1.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
1-amino-2-(4-methylsulfonylphenyl)propan-2-ol
CID 62773186
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757747
2-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-2-(propylamino)propan-1-ol
CID 64825661
2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
CID 65255191
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol?
The IUPAC name of 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol (CID 110017059) is 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol.
What is the SMILES notation for 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol?
The canonical SMILES for 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol is CN(CCc1ccncc1)CC(C)(O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol?
The InChIKey is SCDIVQVNXYJRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(21,16-4-6-17(7-5-16)24(3,22)23)14-20(2)13-10-15-8-11-19-12-9-15/h4-9,11-12,21H,10,13-14H2,1-3H3.
What are the key properties of 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol?
1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol has a molecular weight of 348.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-pyridin-4-ylethyl)amino]-2-(4-methylsulfonylphenyl)propan-2-ol is sourced from PubChem (CID 110017059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).